UCSF

ZINC34750963

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 34 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -5.22 4.09 -186.05 2 14 -3 204 486.502 11
Mid Mid (pH 6-8) -5.22 5.69 -129.65 3 14 -2 205 487.51 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )